[2-[(2,2-diethoxy-1-phenyl-ethyl)-prop-2-enyl-carbamoyl]-1-(phenylmethyl)indol-7-yl] methanesulfonate

Systemtic Name: [2-[(2,2-diethoxy-1-phenyl-ethyl)-prop-2-enyl-carbamoyl]-1-(phenylmethyl)indol-7-yl] methanesulfonate Openeye Name: [2-[allyl-(2,2-diethoxy-1-phenyl-ethyl)carbamoyl]-1-benzyl-indol-7-yl] methanesulfonate CAS Name: methanesulfonic acid [2-[[(2,2-diethoxy-1-phenylethyl)-prop-2-enylamino]-oxomethyl]-1-(phenylmethyl)-7-indolyl] ester IUPAC Name: [1-benzyl-2-[(2,2-diethoxy-1-phenylethyl)-prop-2-enylcarbamoyl]indol-7-yl] methanesulfonate Traditional Name: methanesulfonic acid [2-[allyl-(2,2-diethoxy-1-phenyl-ethyl)carbamoyl]-1-benzyl-indol-7-yl] ester Formula: C32H36N2O6S MolecularWeight: 576.70304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(C(C1=CC=CC=C1)N(CC=C)C(=O)C2=CC3=C(N2CC4=CC=CC=C4)C(=CC=C3)OS(=O)(=O)C)OCC

Isomeric SMILES

CCOC(C(C1=CC=CC=C1)N(CC=C)C(=O)C2=CC3=C(N2CC4=CC=CC=C4)C(=CC=C3)OS(=O)(=O)C)OCC

InChI

InChI=1S/C32H36N2O6S/c1-5-21-33(30(25-17-12-9-13-18-25)32(38-6-2)39-7-3)31(35)27-22-26-19-14-20-28(40-41(4,36)37)29(26)34(27)23-24-15-10-8-11-16-24/h5,8-20,22,30,32H,1,6-7,21,23H2,2-4H3